CIESC Journal

• 化工学报 •    下一篇

用微扰理论、平均球近似结合统计缔合流体理论建立纯流体的状态方程

刘文彬,李以圭,陆九芳   

  1. 清华大学化学工程系!北京100084,清华大学化学工程系!北京100084,清华大学化学工程系!北京100084
  • 出版日期:1998-08-25 发布日期:1998-08-25

EQUATION OF STATE FOR PURE ASSOCIATING FLUID BASED ON PERTURBATION THEORY,MEAN SPHERICAL APPROXIMATION AND STATISTICAL ASSOCIATING FLUID THEORY

Lin Wenbin;Li Yigui;Lu Jiufang(Department of Chemical Engineering,Tsinghua University,Beijing 100084)   

  • Online:1998-08-25 Published:1998-08-25

摘要: 分别采用微扰理论和平均球近似(MSA)处理实际流体偶极──偶极间的相互作用,结合统计缔合流体理论(SAFT)处理氢键缔合相互作用,建立了一个纯缔合流体的状态方程.用分子链节微观参数分别关联了37种纯缔合流体(水、醇、酸和胺)的饱和液相密度和饱和蒸汽压.结果表明:采用微扰理论处理偶极──偶极相互作用的关联结果明显优于平均球近似,与分子模拟数据比较,结论一致.

Abstract: An equation or state for pure associating fluids is developed by treating dipole-dipole interactions separately with perturbation theory and mean spherical approximation(MSA),and treating hydrogen bond association with statistical associating fluid theory (SAFT).The saturated vapor pressuresand liquid densities of 37 associating fluids(ater,alkanols,acids and amines)are correlated with molecular(or segment)microscopic parameters.It is shown that the corrdelated results with perturbatin theory are superior to mean spherical approximation and are consistent with the molecular simulation data.

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